Registration Dossier
Registration Dossier
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EC number: 229-782-3 | CAS number: 6731-36-8
Partition coefficient
Administrative data
Link to relevant study record(s)
- Endpoint:
- partition coefficient
- Type of information:
- calculation (if not (Q)SAR)
- Remarks:
- estimated by calculation
- Adequacy of study:
- weight of evidence
- Reliability:
- 4 (not assignable)
- Rationale for reliability incl. deficiencies:
- other: Calculation
- Qualifier:
- no guideline required
- Principles of method if other than guideline:
- ACD Labs Calculation Software V9.04
- GLP compliance:
- no
- Type of method:
- other: ACD Labs Calculation Software V9.04
- Partition coefficient type:
- octanol-water
- Type:
- log Pow
- Partition coefficient:
- 6.92
- Temp.:
- 25 °C
- Remarks on result:
- other: Calculation, so no pH.
- Conclusions:
- The partition coefficient octanol/water of di-tert-butyl 3,3,5-trimethylcyclohexylidene diperoxide Log Kow is 6.92 at 25°C.
- Executive summary:
Calculated using Advanced Chemistry Development (ACD/Labs) Software V9.04:
The partition coefficient octanol/water is 6.92 at 25°C.
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- weight of evidence
- Study period:
- 1992
- Reliability:
- 4 (not assignable)
- Rationale for reliability incl. deficiencies:
- other: Similar method to OECD 107 was used, no identity data.
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
- Deviations:
- not specified
- GLP compliance:
- not specified
- Type of method:
- shake-flask method to: flask method
- Partition coefficient type:
- octanol-water
- Type:
- log Pow
- Partition coefficient:
- 6.53
- Remarks on result:
- other: Handbook. no temperature or pH mentioned
- Conclusions:
- The partition coefficient octanol/water of di-tert-butyl 3,3,5-trimethylcyclohexylidene diperoxide Log Kow i is 6.53.
- Executive summary:
According to reported method similar to OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method:
The partition coefficient octanol/water is 6.53.
- Endpoint:
- partition coefficient
- Type of information:
- calculation (if not (Q)SAR)
- Remarks:
- estimated by calculation
- Adequacy of study:
- weight of evidence
- Reliability:
- 4 (not assignable)
- Rationale for reliability incl. deficiencies:
- other: Calculation
- Qualifier:
- no guideline required
- Principles of method if other than guideline:
- KOWWIN 2000 Calculation model
- GLP compliance:
- no
- Type of method:
- other: KOWWIN 2000 Calculation model
- Partition coefficient type:
- octanol-water
- Type:
- log Pow
- Partition coefficient:
- 7.56
- Temp.:
- 25 °C
- Remarks on result:
- other: Calculation, so no pH.
- Details on results:
- Calculation, so no pH.
- Conclusions:
- The partition coefficient octanol/water of di-tert-butyl 3,3,5-trimethylcyclohexylidene diperoxide is 7.56 at 25°C.
- Executive summary:
According to this calculation, The partition coefficient octanol/water of di-tert-butyl 3,3,5-trimethylcyclohexylidene diperoxide is 7.56 at 25°C.
Referenceopen allclose all
Description of key information
The partition coefficient octanol/water of di-tert-butyl 3,3,5-trimethylcyclohexylidene diperoxide Log Kow is 7.0.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 7
- at the temperature of:
- 25 °C
Additional information
Weight of evidence is applied:
KOWWIN, 2000, calculation: Log Kow is 7.56 at 25°C
ACD Labs model,2009, calculation: Log Kow is 6.92 at 25°C.
Chemicals Inspection and Testing Institute, Japan, 1992, handbook, Log Kow is 6.53.
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